#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3y s HIS 2 N 0.00 3.73 -0.07 3.52 5.04 -1.26 -4.79 115.29 121.46 1j3y s HIS 2 Ca 0.00 -2.27 -0.21 0.00 -1.54 0.00 0.00 55.06 51.04 1j3y s HIS 2 Cb 0.00 -4.15 -0.04 0.00 0.04 0.00 0.00 32.58 28.43 1j3y s HIS 2 CO 0.00 -1.25 0.60 -0.51 -2.34 0.00 0.00 174.74 171.24 1j3y s LEU 3 N 0.70 4.33 0.54 8.88 1.02 -1.26 -5.08 118.68 127.81 1j3y s LEU 3 Ca 0.38 1.06 -0.12 0.00 0.02 0.00 0.00 54.13 55.46 1j3y s LEU 3 Cb -0.05 -2.91 -0.06 0.00 0.02 0.00 0.00 46.19 43.19 1j3y s LEU 3 CO -0.03 -0.02 0.95 0.28 0.02 0.00 0.00 176.35 177.55 1j3y s THR 4 N 0.50 4.68 0.32 5.49 -1.32 -1.26 -4.83 115.64 119.22 1j3y s THR 4 Ca 0.32 0.89 0.10 0.00 -1.21 0.00 0.00 61.69 61.79 1j3y s THR 4 Cb -0.17 -3.80 0.31 0.00 -1.51 0.00 0.00 72.50 67.34 1j3y s THR 4 CO 0.15 -0.87 1.71 -0.65 -2.21 0.00 0.00 174.62 172.75 1j3y h PRO 5 N 0.39 0.48 -0.22 7.08 0.11 -1.99 1.00 132.00 138.84 1j3y h PRO 5 Ca -0.46 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 1j3y h PRO 5 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j3y h PRO 5 CO 0.62 0.31 -0.65 0.93 -0.21 0.00 0.00 178.00 179.00 1j3y h GLU 6 N 0.49 0.81 -0.14 1.05 3.07 -1.99 -1.96 114.58 115.91 1j3y h GLU 6 Ca 0.65 -0.58 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1j3y h GLU 6 Cb 1.31 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1j3y h GLU 6 CO -0.52 1.20 0.06 0.93 -1.40 0.00 0.00 179.01 179.28 1j3y h GLU 7 N 0.59 0.20 -0.21 2.33 5.08 -1.70 -2.11 114.58 118.76 1j3y h GLU 7 Ca -0.02 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1j3y h GLU 7 Cb 1.26 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1j3y h GLU 7 CO 0.14 0.29 -0.15 0.87 -1.00 0.00 0.00 179.01 179.15 1j3y h LYS 8 N 0.07 -0.15 -0.30 2.33 1.57 -0.77 -0.26 116.57 119.07 1j3y h LYS 8 Ca 0.05 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1j3y h LYS 8 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1j3y h LYS 8 CO -0.00 -0.10 -0.02 0.66 -0.57 0.00 0.00 179.45 179.42 1j3y h SER 9 N -0.15 0.44 -0.38 0.86 4.64 -1.34 -1.32 113.55 116.29 1j3y h SER 9 Ca 0.12 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1j3y h SER 9 Cb 0.34 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1j3y h SER 9 CO -0.31 0.52 0.22 0.00 -0.87 0.00 0.00 176.83 176.39 1j3y h ALA 10 N 1.54 0.49 0.13 5.18 0.00 -0.64 -1.57 119.26 124.39 1j3y h ALA 10 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1j3y h ALA 10 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j3y h ALA 10 CO 0.01 -0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.48 1j3y h VAL 11 N 0.50 0.93 -0.62 0.00 2.07 -0.52 -2.73 116.25 115.88 1j3y h VAL 11 Ca 0.14 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1j3y h VAL 11 Cb 0.03 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1j3y h VAL 11 CO -0.02 0.05 0.05 0.74 0.02 0.00 0.00 177.57 178.41 1j3y h THR 12 N -0.27 1.26 -0.35 2.57 2.02 -1.23 -1.01 112.91 115.90 1j3y h THR 12 Ca -0.02 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1j3y h THR 12 Cb 0.22 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1j3y h THR 12 CO 0.03 0.40 0.12 0.00 0.37 0.00 0.00 175.52 176.43 1j3y h ALA 13 N 1.06 0.45 -0.48 6.16 0.00 -1.29 -1.39 119.26 123.77 1j3y h ALA 13 Ca 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1j3y h ALA 13 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1j3y h ALA 13 CO 0.02 0.08 0.03 1.25 0.00 0.00 0.00 179.25 180.63 1j3y h LEU 14 N 0.41 0.81 -1.35 0.00 6.46 -1.28 -3.17 115.31 117.19 1j3y h LEU 14 Ca 0.11 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.54 1j3y h LEU 14 Cb 0.23 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1j3y h LEU 14 CO -0.01 0.90 -0.05 -0.25 -0.62 0.00 0.00 178.44 178.41 1j3y h TRP 15 N 0.69 0.39 0.00 1.25 2.91 -0.90 -1.37 115.95 118.92 1j3y h TRP 15 Ca 0.14 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1j3y h TRP 15 Cb 0.46 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1j3y h TRP 15 CO 0.03 0.43 0.10 0.78 -1.03 0.00 0.00 178.44 178.76 1j3y h GLY 16 N 0.75 0.00 -2.13 2.65 0.00 -1.22 -1.12 103.07 102.00 1j3y h GLY 16 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1j3y h GLY 16 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1j3y n LYS 17 N -2.99 2.43 -3.16 4.80 5.02 -0.52 -4.98 118.16 118.76 1j3y n LYS 17 Ca -0.03 -2.11 -0.39 0.00 -2.02 0.00 0.00 58.31 53.76 1j3y n LYS 17 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1j3y n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j3y s VAL 18 N -1.75 5.10 -0.72 -0.18 1.01 -0.43 -5.01 120.40 118.43 1j3y s VAL 18 Ca 0.33 1.24 -0.24 0.00 0.00 0.00 0.00 61.98 63.30 1j3y s VAL 18 Cb 0.21 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1j3y s VAL 18 CO 0.31 0.28 1.13 0.21 0.00 0.00 0.00 175.10 177.03 1j3y s ASN 19 N 0.74 6.19 0.37 3.32 3.84 -1.26 -4.90 114.94 123.24 1j3y s ASN 19 Ca 0.32 -0.79 0.06 0.00 0.21 0.00 0.00 52.86 52.66 1j3y s ASN 19 Cb -0.17 -2.49 0.70 0.00 -0.55 0.00 0.00 41.25 38.75 1j3y s ASN 19 CO 0.15 -1.62 1.94 0.58 -2.79 0.00 0.00 177.10 175.36 1j3y h VAL 20 N 6.03 1.17 0.28 -5.21 2.07 -1.95 -0.06 116.25 118.58 1j3y h VAL 20 Ca -0.25 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1j3y h VAL 20 Cb 1.06 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1j3y h VAL 20 CO 1.23 0.21 -0.20 0.44 0.02 0.00 0.00 177.57 179.28 1j3y h ASP 21 N 0.49 -0.51 0.04 0.57 5.19 -1.90 0.68 116.42 120.97 1j3y h ASP 21 Ca 0.11 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1j3y h ASP 21 Cb 0.21 0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1j3y h ASP 21 CO -0.00 -0.31 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.46 1j3y h GLU 22 N -0.48 -0.05 -0.75 3.56 5.08 -1.87 -1.35 114.58 118.71 1j3y h GLU 22 Ca -0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1j3y h GLU 22 Cb 0.41 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1j3y h GLU 22 CO 0.00 0.31 0.26 0.28 -1.00 0.00 0.00 179.01 178.87 1j3y h VAL 23 N -0.43 1.26 -0.14 3.13 2.07 -1.08 -0.28 116.25 120.78 1j3y h VAL 23 Ca -0.01 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1j3y h VAL 23 Cb 0.39 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1j3y h VAL 23 CO 0.01 0.35 0.05 1.23 0.02 0.00 0.00 177.57 179.23 1j3y h GLY 24 N 1.11 0.24 1.00 2.17 0.00 -0.86 0.13 103.07 106.85 1j3y h GLY 24 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1j3y h GLY 24 CO -0.01 0.12 0.36 -1.33 0.00 0.00 0.00 176.54 175.68 1j3y h GLY 25 N 0.07 0.88 0.92 4.60 0.00 -1.02 -1.81 103.07 106.71 1j3y h GLY 25 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1j3y h GLY 25 CO -0.00 0.36 0.10 -2.09 0.00 0.00 0.00 176.54 174.91 1j3y h GLU 26 N 0.82 0.55 -0.15 4.80 4.57 -0.95 -0.15 114.58 124.07 1j3y h GLU 26 Ca 0.22 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1j3y h GLU 26 Cb -0.00 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1j3y h GLU 26 CO -0.04 0.58 0.04 0.00 -1.18 0.00 0.00 179.01 178.41 1j3y h ALA 27 N 0.94 0.20 -0.52 2.92 0.00 -0.61 0.54 119.26 122.73 1j3y h ALA 27 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1j3y h ALA 27 Cb 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1j3y h ALA 27 CO -0.00 -0.17 -0.02 1.25 0.00 0.00 0.00 179.25 180.31 1j3y h LEU 28 N 0.05 0.92 -0.19 0.00 5.85 -1.36 -0.73 115.31 119.86 1j3y h LEU 28 Ca 0.05 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1j3y h LEU 28 Cb 0.25 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1j3y h LEU 28 CO -0.00 1.01 0.10 1.23 -0.34 0.00 0.00 178.44 180.44 1j3y h GLY 29 N 0.80 0.28 1.59 3.75 0.00 -0.95 -2.20 103.07 106.34 1j3y h GLY 29 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1j3y h GLY 29 CO 0.03 0.12 0.08 3.21 0.00 0.00 0.00 176.54 179.98 1j3y h ARG 30 N 0.19 0.52 -0.46 4.80 3.08 -0.84 -1.23 114.38 120.44 1j3y h ARG 30 Ca 0.06 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1j3y h ARG 30 Cb 0.08 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1j3y h ARG 30 CO -0.01 0.49 0.15 1.25 -1.07 0.00 0.00 179.97 180.78 1j3y h LEU 31 N 0.51 0.15 -0.82 3.04 5.85 -0.61 0.32 115.31 123.75 1j3y h LEU 31 Ca 0.12 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1j3y h LEU 31 Cb 0.21 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1j3y h LEU 31 CO -0.00 0.12 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.61 1j3y h LEU 32 N 0.32 0.00 0.02 2.25 3.38 -0.81 -0.47 115.31 120.00 1j3y h LEU 32 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1j3y h LEU 32 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1j3y h LEU 32 CO -0.23 0.53 -0.14 0.58 0.09 0.00 0.00 178.44 179.27 1j3y h VAL 33 N 0.00 1.71 0.05 1.22 2.07 -0.84 -3.24 116.25 117.21 1j3y h VAL 33 Ca -0.01 -2.28 -0.24 0.00 0.82 0.00 0.00 66.70 64.99 1j3y h VAL 33 Cb 1.02 3.25 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1j3y h VAL 33 CO 0.07 0.60 -1.05 0.58 0.02 0.00 0.00 177.57 177.79 1j3y h VAL 34 N -0.83 1.43 -2.58 2.57 2.07 -0.37 -3.35 116.25 115.19 1j3y h VAL 34 Ca -0.02 -2.63 -0.60 0.00 0.82 0.00 0.00 66.70 64.26 1j3y h VAL 34 Cb 1.07 2.59 -0.41 0.00 -1.52 0.00 0.00 31.29 33.02 1j3y h VAL 34 CO 0.03 0.78 -0.65 -1.22 0.02 0.00 0.00 177.57 176.53 1j3y n TYR 35 N -3.68 2.84 0.28 1.57 4.01 -0.19 -4.98 117.16 117.00 1j3y n TYR 35 Ca -0.08 -4.12 0.13 0.00 -0.16 0.00 0.00 57.90 53.67 1j3y n TYR 35 Cb 0.90 -0.51 0.61 0.00 -0.31 0.00 0.00 39.34 40.03 1j3y n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j3y h PRO 36 N 4.79 0.00 0.00 -0.72 0.13 -1.70 -0.82 132.00 133.68 1j3y h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1j3y h PRO 36 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1j3y h PRO 36 CO 0.72 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.60 1j3y h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.89 115.95 113.80 1j3y h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j3y h TRP 37 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.42 1j3y h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1j3y n THR 38 N -3.05 0.60 0.43 0.12 -2.24 -0.31 -2.36 114.28 107.48 1j3y n THR 38 Ca -0.02 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 1j3y n THR 38 Cb 0.15 -0.84 0.44 0.00 -2.10 0.00 0.00 70.33 67.98 1j3y n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3y n GLN 39 N -1.38 0.14 0.13 -0.78 6.02 -0.71 -3.52 117.38 117.28 1j3y n GLN 39 Ca 0.07 0.37 0.17 0.00 -0.01 0.00 0.00 57.00 57.60 1j3y n GLN 39 Cb 0.18 -1.77 0.75 0.00 1.02 0.00 0.00 30.24 30.41 1j3y n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1j3y h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.69 -0.03 114.38 111.67 1j3y h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1j3y h ARG 40 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1j3y h ARG 40 CO 0.00 0.00 -0.13 1.19 0.10 0.00 0.00 179.97 181.13 1j3y n PHE 41 N -4.09 0.00 -1.60 4.08 3.72 -1.23 -4.41 117.46 113.93 1j3y n PHE 41 Ca 0.04 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 1j3y n PHE 41 Cb 0.42 -0.23 0.11 0.00 -0.94 0.00 0.00 39.48 38.84 1j3y n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j3y n PHE 42 N -1.08 0.00 -0.10 1.38 3.72 -0.03 -4.77 117.46 116.59 1j3y n PHE 42 Ca 0.13 -0.80 0.18 0.00 -0.05 0.00 0.00 57.45 56.91 1j3y n PHE 42 Cb 0.29 -0.15 0.60 0.00 -0.94 0.00 0.00 39.48 39.27 1j3y n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1j3y h GLU 43 N 0.36 0.21 0.00 -1.08 4.39 -1.77 0.76 114.58 117.45 1j3y h GLU 43 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1j3y h GLU 43 Cb 1.22 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1j3y h GLU 43 CO 0.01 0.14 0.00 -1.13 -1.16 0.00 0.00 179.01 176.87 1j3y n SER 44 N -4.42 0.32 0.00 1.42 3.41 -1.26 -2.89 113.62 110.20 1j3y n SER 44 Ca 0.13 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 1j3y n SER 44 Cb 0.60 -0.65 0.56 0.00 -0.26 0.00 0.00 64.21 64.46 1j3y n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j3y n PHE 45 N -1.86 0.00 -0.17 7.33 3.01 0.26 -5.00 117.46 121.03 1j3y n PHE 45 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1j3y n PHE 45 Cb 0.18 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 1j3y n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j3y n GLY 46 N 0.79 0.60 3.60 1.37 0.00 -1.14 -4.72 105.19 105.69 1j3y n GLY 46 Ca 0.09 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1j3y n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j3y s ASP 47 N -4.00 6.24 -0.16 1.61 2.15 -1.26 -4.83 116.67 116.41 1j3y s ASP 47 Ca 0.00 0.95 0.14 0.00 0.43 0.00 0.00 52.55 54.07 1j3y s ASP 47 Cb 0.00 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.48 1j3y s ASP 47 CO 0.00 -1.49 1.20 0.18 -0.17 0.00 0.00 175.17 174.89 1j3y n LEU 48 N 9.14 2.35 0.17 -1.34 4.77 -1.26 -4.24 117.00 126.58 1j3y n LEU 48 Ca 0.18 -3.46 0.05 0.00 -0.03 0.00 0.00 56.01 52.74 1j3y n LEU 48 Cb 0.48 -0.43 0.17 0.00 -2.33 0.00 0.00 43.42 41.31 1j3y n LEU 48 CO 0.70 1.17 0.58 0.77 -1.33 0.00 0.00 177.39 179.28 1j3y h SER 49 N 0.87 0.00 -4.81 -1.43 4.64 -1.91 -3.44 113.55 107.48 1j3y h SER 49 Ca -0.04 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.05 1j3y h SER 49 Cb 1.15 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 1j3y h SER 49 CO 0.02 0.42 -0.67 0.42 -0.87 0.00 0.00 176.83 176.15 1j3y s THR 50 N -3.22 0.50 0.21 2.95 -4.23 -1.26 -5.02 115.64 105.57 1j3y s THR 50 Ca 0.03 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 1j3y s THR 50 Cb 0.09 -1.98 0.17 0.00 1.34 0.00 0.00 72.50 72.12 1j3y s THR 50 CO 0.71 -0.59 1.69 -0.65 -0.54 0.00 0.00 174.62 175.24 1j3y h PRO 51 N 2.82 0.18 -0.85 3.99 0.11 -1.98 -0.31 132.00 135.96 1j3y h PRO 51 Ca -0.36 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.76 1j3y h PRO 51 Cb 1.19 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1j3y h PRO 51 CO 0.62 0.12 0.56 -0.44 -0.21 0.00 0.00 178.00 178.65 1j3y h ASP 52 N 0.19 0.95 -0.54 -2.05 3.32 -1.99 -0.76 116.42 115.54 1j3y h ASP 52 Ca 0.31 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1j3y h ASP 52 Cb 0.49 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1j3y h ASP 52 CO -0.45 0.68 0.27 0.00 -1.72 0.00 0.00 179.24 178.02 1j3y h ALA 53 N 1.32 0.70 0.06 3.45 0.00 -1.71 -1.68 119.26 121.40 1j3y h ALA 53 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1j3y h ALA 53 Cb -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1j3y h ALA 53 CO -0.08 0.25 -0.03 0.28 0.00 0.00 0.00 179.25 179.67 1j3y h VAL 54 N 0.73 1.06 -0.74 0.00 2.07 -0.68 -1.59 116.25 117.11 1j3y h VAL 54 Ca 0.19 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1j3y h VAL 54 Cb 0.10 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1j3y h VAL 54 CO -0.03 0.10 0.41 0.24 0.02 0.00 0.00 177.57 178.32 1j3y h MET 55 N -0.26 1.03 -0.00 1.57 2.07 -1.06 -2.77 114.93 115.50 1j3y h MET 55 Ca -0.01 -0.11 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 1j3y h MET 55 Cb 0.23 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1j3y h MET 55 CO 0.01 0.76 -0.20 0.41 1.07 0.00 0.00 176.91 178.96 1j3y n GLY 56 N -1.11 -1.05 3.66 8.32 0.00 -0.64 -4.74 105.19 109.63 1j3y n GLY 56 Ca 0.07 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1j3y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3y s ASN 57 N -2.68 6.45 0.45 1.61 3.84 -0.60 -4.88 114.94 119.14 1j3y s ASN 57 Ca 0.22 2.48 0.14 0.00 0.21 0.00 0.00 52.86 55.91 1j3y s ASN 57 Cb 0.19 -2.53 1.07 0.00 -0.55 0.00 0.00 41.25 39.43 1j3y s ASN 57 CO 0.54 -1.08 2.03 -0.65 -2.79 0.00 0.00 177.10 175.15 1j3y h PRO 58 N 10.56 0.33 -0.02 0.43 0.11 -1.90 -0.89 132.00 140.61 1j3y h PRO 58 Ca -0.46 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 1j3y h PRO 58 Cb 1.22 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1j3y h PRO 58 CO 0.95 0.22 -0.92 0.87 -0.21 0.00 0.00 178.00 178.90 1j3y h LYS 59 N 0.34 0.48 -0.44 1.05 1.57 -1.90 -0.70 116.57 116.98 1j3y h LYS 59 Ca 0.20 -0.50 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1j3y h LYS 59 Cb 0.38 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1j3y h LYS 59 CO -0.05 1.14 0.17 0.28 -0.57 0.00 0.00 179.45 180.42 1j3y h VAL 60 N 0.29 1.20 -0.41 0.50 2.07 -1.72 -0.42 116.25 117.76 1j3y h VAL 60 Ca -0.08 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1j3y h VAL 60 Cb 1.55 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1j3y h VAL 60 CO 0.17 0.23 0.18 0.11 0.02 0.00 0.00 177.57 178.28 1j3y h LYS 61 N 0.56 0.60 -0.53 1.57 1.57 -1.14 0.10 116.57 119.30 1j3y h LYS 61 Ca 0.14 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1j3y h LYS 61 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1j3y h LYS 61 CO -0.01 0.54 -0.00 0.00 -0.57 0.00 0.00 179.45 179.41 1j3y h ALA 62 N 1.02 0.71 -0.36 3.86 0.00 -0.95 -1.56 119.26 121.98 1j3y h ALA 62 Ca 0.14 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1j3y h ALA 62 Cb 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1j3y h ALA 62 CO -0.01 0.53 -0.40 1.25 0.00 0.00 0.00 179.25 180.62 1j3y h HIS 63 N 0.81 1.10 -0.27 0.00 -0.00 -0.92 -1.73 115.15 114.13 1j3y h HIS 63 Ca 0.15 -0.34 0.06 0.00 -0.00 0.00 0.00 60.37 60.24 1j3y h HIS 63 Cb 0.53 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.66 1j3y h HIS 63 CO 0.04 1.16 -0.09 0.78 -0.00 0.00 0.00 177.93 179.82 1j3y h GLY 64 N 0.72 0.15 0.53 5.26 0.00 -0.70 0.84 103.07 109.88 1j3y h GLY 64 Ca 0.05 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.58 1j3y h GLY 64 CO 0.10 -0.12 0.31 1.70 0.00 0.00 0.00 176.54 178.53 1j3y h LYS 65 N -0.04 0.54 -0.19 4.80 3.64 -1.17 -1.35 116.57 122.82 1j3y h LYS 65 Ca 0.13 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1j3y h LYS 65 Cb 0.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1j3y h LYS 65 CO -0.30 0.36 0.05 -0.22 -2.27 0.00 0.00 179.45 177.07 1j3y h LYS 66 N 0.56 0.29 -0.46 1.90 3.64 -0.75 -0.35 116.57 121.41 1j3y h LYS 66 Ca 0.31 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1j3y h LYS 66 Cb 0.30 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1j3y h LYS 66 CO -0.24 0.42 0.28 0.28 -2.27 0.00 0.00 179.45 177.92 1j3y h VAL 67 N 0.12 1.07 0.00 2.00 2.07 -0.76 -2.19 116.25 118.56 1j3y h VAL 67 Ca 0.06 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1j3y h VAL 67 Cb 0.25 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1j3y h VAL 67 CO -0.00 0.10 -0.26 0.25 0.02 0.00 0.00 177.57 177.68 1j3y h LEU 68 N 0.57 0.00 -0.52 2.57 6.46 -1.12 -1.26 115.31 122.01 1j3y h LEU 68 Ca 0.18 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 1j3y h LEU 68 Cb -0.01 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1j3y h LEU 68 CO -0.07 0.26 0.14 1.23 -0.62 0.00 0.00 178.44 179.38 1j3y h GLY 69 N 2.90 0.89 1.31 3.75 0.00 -0.81 0.20 103.07 111.31 1j3y h GLY 69 Ca -0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1j3y h GLY 69 CO 0.03 0.51 -0.33 0.00 0.00 0.00 0.00 176.54 176.76 1j3y h ALA 70 N 1.01 0.77 -0.25 3.60 0.00 -1.00 -0.74 119.26 122.64 1j3y h ALA 70 Ca 0.17 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1j3y h ALA 70 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1j3y h ALA 70 CO -0.00 0.65 0.06 0.35 0.00 0.00 0.00 179.25 180.31 1j3y h PHE 71 N 0.65 0.11 -0.49 0.00 3.04 -1.05 -1.29 116.94 117.90 1j3y h PHE 71 Ca 0.07 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.05 1j3y h PHE 71 Cb 0.86 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.33 1j3y h PHE 71 CO 0.05 0.04 0.30 1.03 -2.02 0.00 0.00 178.31 177.71 1j3y h SER 72 N 0.17 0.50 -0.99 0.41 0.87 -0.39 -1.51 113.55 112.60 1j3y h SER 72 Ca 0.11 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1j3y h SER 72 Cb 0.10 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 1j3y h SER 72 CO -0.14 0.35 0.64 0.44 -0.53 0.00 0.00 176.83 177.60 1j3y h ASP 73 N 0.61 1.03 -0.17 6.23 3.32 -0.89 -1.74 116.42 124.81 1j3y h ASP 73 Ca 0.19 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.30 1j3y h ASP 73 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1j3y h ASP 73 CO -0.08 0.67 0.14 1.23 -1.72 0.00 0.00 179.24 179.49 1j3y h GLY 74 N 1.18 0.00 2.00 2.75 0.00 -0.18 -1.99 103.07 106.83 1j3y h GLY 74 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1j3y h GLY 74 CO -0.16 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.42 1j3y n LEU 75 N -4.17 0.64 -0.02 3.11 4.77 -0.65 -0.95 117.00 119.72 1j3y n LEU 75 Ca 0.01 0.68 0.15 0.00 -0.03 0.00 0.00 56.01 56.82 1j3y n LEU 75 Cb 0.27 -0.62 0.81 0.00 -2.33 0.00 0.00 43.42 41.55 1j3y n LEU 75 CO 0.32 -0.63 1.04 0.00 -1.33 0.00 0.00 177.39 176.79 1j3y n ALA 76 N -1.77 2.59 -2.45 -1.18 0.00 -0.75 -4.00 120.51 112.95 1j3y n ALA 76 Ca 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1j3y n ALA 76 Cb 0.19 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.20 1j3y n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3y n HIS 77 N -1.13 2.02 0.16 0.00 8.25 -0.13 -4.92 115.22 119.48 1j3y n HIS 77 Ca 0.18 -2.25 0.15 0.00 -0.26 0.00 0.00 57.72 55.54 1j3y n HIS 77 Cb 0.20 -0.28 0.73 0.00 1.12 0.00 0.00 29.99 31.76 1j3y n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j3y h LEU 78 N 2.43 0.00 -0.51 2.41 -0.00 -1.69 -0.26 115.31 117.69 1j3y h LEU 78 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1j3y h LEU 78 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 1j3y h LEU 78 CO 0.49 0.00 -0.23 0.47 -0.00 0.00 0.00 178.44 179.17 1j3y n ASP 79 N -4.23 1.02 -3.01 -0.43 8.00 -1.26 -4.29 116.55 112.34 1j3y n ASP 79 Ca 0.03 -0.91 -0.15 0.00 0.71 0.00 0.00 54.79 54.47 1j3y n ASP 79 Cb 0.33 0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1j3y n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j3y n ASN 80 N -0.61 -0.02 -0.15 -2.24 5.15 -0.14 -4.95 115.26 112.30 1j3y n ASN 80 Ca 0.13 -3.15 -0.02 0.00 -0.60 0.00 0.00 54.58 50.94 1j3y n ASN 80 Cb 0.34 0.09 0.21 0.00 -0.53 0.00 0.00 39.78 39.90 1j3y n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j3y h LEU 81 N 2.97 0.78 -0.47 1.20 3.38 -1.65 -2.04 115.31 119.49 1j3y h LEU 81 Ca 0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1j3y h LEU 81 Cb 1.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1j3y h LEU 81 CO 0.39 0.71 0.11 0.11 0.09 0.00 0.00 178.44 179.84 1j3y h LYS 82 N 0.85 0.75 -0.39 1.13 1.57 -1.89 -0.82 116.57 117.77 1j3y h LYS 82 Ca 0.20 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1j3y h LYS 82 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1j3y h LYS 82 CO -0.02 0.74 0.22 0.78 -0.57 0.00 0.00 179.45 180.61 1j3y h GLY 83 N 0.63 0.57 1.76 3.86 0.00 -1.90 -2.13 103.07 105.85 1j3y h GLY 83 Ca 0.15 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1j3y h GLY 83 CO 0.00 0.24 -0.62 0.00 0.00 0.00 0.00 176.54 176.16 1j3y h THR 84 N 0.50 1.39 -0.28 4.70 1.03 -1.13 -3.05 112.91 116.08 1j3y h THR 84 Ca 0.14 -2.01 0.00 0.00 -0.01 0.00 0.00 66.41 64.52 1j3y h THR 84 Cb 0.03 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1j3y h THR 84 CO -0.02 0.59 0.00 0.49 -0.01 0.00 0.00 175.52 176.57 1j3y n PHE 85 N -3.86 0.36 -0.20 0.00 3.72 -0.33 -4.52 117.46 112.62 1j3y n PHE 85 Ca -0.02 -0.18 -0.07 0.00 -0.05 0.00 0.00 57.45 57.13 1j3y n PHE 85 Cb 0.63 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.20 1j3y n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j3y h ALA 86 N 4.16 0.74 -0.23 4.37 0.00 -1.26 0.17 119.26 127.20 1j3y h ALA 86 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1j3y h ALA 86 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1j3y h ALA 86 CO 0.00 0.24 0.10 1.15 0.00 0.00 0.00 179.25 180.74 1j3y h THR 87 N 0.79 1.15 0.00 0.00 2.02 -1.82 -2.48 112.91 112.56 1j3y h THR 87 Ca 0.21 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1j3y h THR 87 Cb 0.00 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1j3y h THR 87 CO -0.04 0.15 -0.33 -0.07 0.37 0.00 0.00 175.52 175.60 1j3y h LEU 88 N 0.24 0.00 0.67 2.58 3.38 -1.75 -1.83 115.31 118.60 1j3y h LEU 88 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1j3y h LEU 88 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1j3y h LEU 88 CO -0.01 0.33 -0.32 -1.28 0.09 0.00 0.00 178.44 177.25 1j3y h SER 89 N 0.00 -0.76 -0.73 -0.43 0.87 -0.45 -0.81 113.55 111.24 1j3y h SER 89 Ca -0.00 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1j3y h SER 89 Cb 0.67 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.76 1j3y h SER 89 CO 0.04 -0.53 0.38 -0.08 -0.53 0.00 0.00 176.83 176.12 1j3y h GLU 90 N -0.93 0.65 0.00 2.24 4.57 -1.28 -0.79 114.58 119.04 1j3y h GLU 90 Ca -0.09 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1j3y h GLU 90 Cb 0.70 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1j3y h GLU 90 CO 0.15 0.43 -0.07 1.25 -1.18 0.00 0.00 179.01 179.59 1j3y h LEU 91 N 0.67 -0.21 -1.31 1.64 5.85 -1.23 0.13 115.31 120.84 1j3y h LEU 91 Ca 0.35 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 1j3y h LEU 91 Cb 0.32 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1j3y h LEU 91 CO -0.24 -0.11 -0.34 0.45 -0.34 0.00 0.00 178.44 177.85 1j3y h HIS 92 N -0.13 0.00 0.26 1.25 3.86 -0.73 -0.50 115.15 119.16 1j3y h HIS 92 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1j3y h HIS 92 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1j3y h HIS 92 CO -0.14 0.34 -0.13 0.00 0.86 0.00 0.00 177.93 178.87 1j3y h ASP 94 N -0.84 0.54 0.17 0.00 3.58 -0.76 -2.92 116.42 116.19 1j3y h ASP 94 Ca -0.04 -0.68 -0.36 0.00 0.42 0.00 0.00 57.03 56.38 1j3y h ASP 94 Cb 0.27 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1j3y h ASP 94 CO 0.06 1.56 -2.03 0.29 -2.88 0.00 0.00 179.24 176.24 1j3y n LYS 95 N -3.55 0.72 -0.01 0.28 4.76 -0.29 -4.60 118.16 115.47 1j3y n LYS 95 Ca -0.17 0.24 0.10 0.00 -2.87 0.00 0.00 58.31 55.61 1j3y n LYS 95 Cb 1.06 -1.69 -0.15 0.00 -1.84 0.00 0.00 35.03 32.41 1j3y n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3y n LEU 96 N -3.34 0.15 -3.76 -0.35 4.77 -0.62 -5.00 117.00 108.85 1j3y n LEU 96 Ca -0.31 -0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.33 1j3y n LEU 96 Cb 1.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.18 1j3y n LEU 96 CO 0.41 0.04 0.09 1.41 -1.33 0.00 0.00 177.39 178.01 1j3y n HIS 97 N -2.06 -2.32 -3.27 -1.77 8.25 -0.41 -4.95 115.22 108.69 1j3y n HIS 97 Ca -0.02 0.92 -0.41 0.00 -0.26 0.00 0.00 57.72 57.94 1j3y n HIS 97 Cb 0.48 -4.39 -0.08 0.00 1.12 0.00 0.00 29.99 27.12 1j3y n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j3y s VAL 98 N -3.40 5.04 0.05 1.59 1.01 -0.29 -5.03 120.40 119.36 1j3y s VAL 98 Ca 0.44 0.21 -0.34 0.00 0.00 0.00 0.00 61.98 62.29 1j3y s VAL 98 Cb -0.21 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 1j3y s VAL 98 CO 0.80 -0.24 1.72 -0.67 0.00 0.00 0.00 175.10 176.71 1j3y n ASP 99 N 5.70 3.28 0.10 3.32 -0.08 -1.26 -4.69 116.55 122.92 1j3y n ASP 99 Ca -0.06 1.03 0.07 0.00 -1.51 0.00 0.00 54.79 54.32 1j3y n ASP 99 Cb 0.49 -1.40 0.36 0.00 2.34 0.00 0.00 41.12 42.91 1j3y n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1j3y n PRO 100 N 4.97 0.09 0.19 -0.67 -0.02 -1.26 -1.22 135.00 137.08 1j3y n PRO 100 Ca 0.20 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 1j3y n PRO 100 Cb 0.29 -1.77 0.67 0.00 -0.02 0.00 0.00 33.50 32.68 1j3y n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j3y h GLU 101 N 0.00 0.00 -0.58 -0.52 4.57 -1.97 -1.33 114.58 114.74 1j3y h GLU 101 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1j3y h GLU 101 Cb 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1j3y h GLU 101 CO 0.00 0.00 0.38 -0.91 -1.18 0.00 0.00 179.01 177.30 1j3y h ASN 102 N 0.00 0.55 -0.32 1.04 4.21 -1.53 -1.17 115.58 118.35 1j3y h ASN 102 Ca 0.07 -0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.47 1j3y h ASN 102 Cb 0.28 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1j3y h ASN 102 CO -0.00 0.37 -0.17 -0.26 -1.29 0.00 0.00 177.43 176.08 1j3y h PHE 103 N 0.63 0.87 -0.14 1.19 0.04 -1.43 -0.74 116.94 117.35 1j3y h PHE 103 Ca 0.24 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1j3y h PHE 103 Cb 0.16 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1j3y h PHE 103 CO -0.00 0.89 -0.06 0.00 -0.60 0.00 0.00 178.31 178.54 1j3y h ARG 104 N 0.69 0.29 -0.47 1.51 3.08 -1.32 -1.13 114.38 117.03 1j3y h ARG 104 Ca 0.11 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1j3y h ARG 104 Cb 0.67 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 1j3y h ARG 104 CO 0.05 0.61 0.18 -0.07 -1.07 0.00 0.00 179.97 179.66 1j3y h LEU 105 N -0.04 0.20 -0.94 3.04 3.38 -1.14 -2.22 115.31 117.59 1j3y h LEU 105 Ca 0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1j3y h LEU 105 Cb 0.52 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1j3y h LEU 105 CO 0.02 0.14 0.36 0.25 0.09 0.00 0.00 178.44 179.31 1j3y h LEU 106 N 0.36 1.03 -0.50 1.67 5.85 -1.05 -1.07 115.31 121.59 1j3y h LEU 106 Ca 0.22 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1j3y h LEU 106 Cb 0.21 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1j3y h LEU 106 CO -0.22 0.87 0.30 1.23 -0.34 0.00 0.00 178.44 180.29 1j3y h GLY 107 N 1.15 0.71 1.50 3.75 0.00 -0.86 0.12 103.07 109.43 1j3y h GLY 107 Ca 0.27 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 1j3y h GLY 107 CO -0.03 0.19 -0.42 3.43 0.00 0.00 0.00 176.54 179.71 1j3y h ASN 108 N 0.60 0.58 -0.50 0.19 2.35 -0.99 -1.15 115.58 116.66 1j3y h ASN 108 Ca 0.20 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 1j3y h ASN 108 Cb 0.01 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1j3y h ASN 108 CO -0.09 0.93 0.10 0.58 -1.65 0.00 0.00 177.43 177.30 1j3y h VAL 109 N 0.45 1.24 -0.71 2.81 2.07 -0.92 -2.05 116.25 119.14 1j3y h VAL 109 Ca 0.04 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.73 1j3y h VAL 109 Cb 0.92 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1j3y h VAL 109 CO 0.08 0.32 0.41 0.25 0.02 0.00 0.00 177.57 178.65 1j3y h LEU 110 N 0.69 0.63 -0.67 2.57 5.85 -0.50 0.15 115.31 124.03 1j3y h LEU 110 Ca 0.15 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1j3y h LEU 110 Cb 0.36 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1j3y h LEU 110 CO 0.01 0.40 0.41 0.58 -0.34 0.00 0.00 178.44 179.50 1j3y h VAL 111 N 0.76 1.06 -0.68 1.05 2.07 -0.93 -0.31 116.25 119.26 1j3y h VAL 111 Ca 0.32 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1j3y h VAL 111 Cb 0.17 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1j3y h VAL 111 CO -0.18 0.14 0.34 0.00 0.02 0.00 0.00 177.57 177.89 1j3y h VAL 113 N 0.94 1.19 -0.61 0.00 2.07 -0.21 0.23 116.25 119.86 1j3y h VAL 113 Ca 0.23 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1j3y h VAL 113 Cb 0.10 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1j3y h VAL 113 CO -0.03 0.21 0.21 -0.07 0.02 0.00 0.00 177.57 177.92 1j3y h LEU 114 N 0.77 0.86 -0.67 2.57 3.38 -0.81 -0.99 115.31 120.42 1j3y h LEU 114 Ca 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1j3y h LEU 114 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1j3y h LEU 114 CO -0.03 0.82 0.34 0.00 0.09 0.00 0.00 178.44 179.66 1j3y h ALA 115 N 1.07 0.86 -0.57 1.53 0.00 -1.02 0.02 119.26 121.15 1j3y h ALA 115 Ca 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j3y h ALA 115 Cb 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1j3y h ALA 115 CO -0.01 0.40 0.31 1.25 0.00 0.00 0.00 179.25 181.20 1j3y h HIS 116 N 0.92 0.79 -0.04 0.00 -0.00 -0.67 0.47 115.15 116.62 1j3y h HIS 116 Ca 0.23 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1j3y h HIS 116 Cb 0.09 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1j3y h HIS 116 CO -0.00 0.57 -0.20 1.25 -0.00 0.00 0.00 177.93 179.56 1j3y h HIS 117 N 0.77 0.27 0.00 5.26 6.17 -1.00 -3.35 115.15 123.27 1j3y h HIS 117 Ca 0.20 -0.12 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1j3y h HIS 117 Cb 0.05 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 29.94 1j3y h HIS 117 CO -0.01 0.84 -0.69 0.74 0.71 0.00 0.00 177.93 179.51 1j3y h PHE 118 N -0.37 0.00 0.00 5.26 0.04 -0.99 -3.49 116.94 117.38 1j3y h PHE 118 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1j3y h PHE 118 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1j3y h PHE 118 CO 0.14 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.26 1j3y n GLY 119 N 1.20 3.60 0.29 -1.45 0.00 0.15 -2.29 105.19 106.70 1j3y n GLY 119 Ca 0.02 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1j3y n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j3y h LYS 120 N 0.00 0.00 0.00 1.61 6.56 -1.95 -1.06 116.57 121.73 1j3y h LYS 120 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1j3y h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1j3y h LYS 120 CO 0.00 0.00 -0.08 1.49 -2.06 0.00 0.00 179.45 178.80 1j3y h GLU 121 N 0.00 0.00 -4.05 3.15 4.81 -1.85 -3.27 114.58 113.37 1j3y h GLU 121 Ca 0.02 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.52 1j3y h GLU 121 Cb 0.10 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.36 1j3y h GLU 121 CO -0.00 0.08 2.26 0.34 -0.73 0.00 0.00 179.01 180.96 1j3y n PHE 122 N -3.50 3.57 -1.29 0.92 7.35 -0.40 -4.94 117.46 119.17 1j3y n PHE 122 Ca -0.02 -2.93 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 1j3y n PHE 122 Cb 0.22 -2.22 0.12 0.00 0.35 0.00 0.00 39.48 37.95 1j3y n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j3y s THR 123 N 1.71 2.78 0.22 -2.13 -4.23 -1.23 -4.66 115.64 108.09 1j3y s THR 123 Ca 0.43 0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 1j3y s THR 123 Cb 0.09 -2.80 0.18 0.00 1.34 0.00 0.00 72.50 71.31 1j3y s THR 123 CO -0.02 -0.33 1.70 -0.65 -0.54 0.00 0.00 174.62 174.78 1j3y h PRO 124 N -1.42 0.24 -0.68 3.99 0.11 -1.94 0.81 132.00 133.11 1j3y h PRO 124 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1j3y h PRO 124 Cb 1.28 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1j3y h PRO 124 CO 0.56 0.16 0.34 -1.35 -0.21 0.00 0.00 178.00 177.50 1j3y h PRO 125 N 0.25 0.95 -0.28 1.05 0.11 -1.99 -0.76 132.00 131.33 1j3y h PRO 125 Ca 0.34 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 1j3y h PRO 125 Cb 0.53 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1j3y h PRO 125 CO -0.44 0.72 -0.10 0.28 -0.21 0.00 0.00 178.00 178.25 1j3y h VAL 126 N 0.95 1.29 -0.53 3.15 2.07 -1.70 -2.00 116.25 119.49 1j3y h VAL 126 Ca 0.24 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.69 1j3y h VAL 126 Cb 0.07 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1j3y h VAL 126 CO -0.03 0.36 0.15 -0.61 0.02 0.00 0.00 177.57 177.46 1j3y h GLN 127 N 0.30 0.29 -0.67 1.57 4.15 -0.70 -0.86 115.11 119.19 1j3y h GLN 127 Ca 0.07 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1j3y h GLN 127 Cb 0.59 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1j3y h GLN 127 CO 0.03 0.19 0.20 0.00 -1.93 0.00 0.00 178.83 177.33 1j3y h ALA 128 N 1.39 1.08 -0.50 3.38 0.00 -0.84 0.33 119.26 124.10 1j3y h ALA 128 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1j3y h ALA 128 Cb 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1j3y h ALA 128 CO -0.31 0.62 0.23 0.00 0.00 0.00 0.00 179.25 179.79 1j3y h ALA 129 N 1.22 0.64 -0.19 0.00 0.00 -0.99 -2.26 119.26 117.67 1j3y h ALA 129 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1j3y h ALA 129 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j3y h ALA 129 CO -0.01 0.22 -0.21 1.88 0.00 0.00 0.00 179.25 181.13 1j3y h TYR 130 N 0.66 0.36 -0.92 0.00 0.05 -0.07 -1.94 116.97 115.11 1j3y h TYR 130 Ca 0.17 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 1j3y h TYR 130 Cb 0.14 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 1j3y h TYR 130 CO -0.00 0.53 0.52 1.96 -1.05 0.00 0.00 178.16 180.12 1j3y h GLN 131 N 0.31 1.26 -0.60 4.88 1.08 -0.13 0.40 115.11 122.31 1j3y h GLN 131 Ca 0.05 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 1j3y h GLN 131 Cb 0.55 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1j3y h GLN 131 CO 0.04 0.91 0.27 0.87 -0.95 0.00 0.00 178.83 179.96 1j3y h LYS 132 N 1.28 0.88 0.16 1.46 1.57 -0.82 -1.72 116.57 119.38 1j3y h LYS 132 Ca 0.33 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1j3y h LYS 132 Cb -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1j3y h LYS 132 CO -0.06 0.73 -0.08 0.28 -0.57 0.00 0.00 179.45 179.75 1j3y h VAL 133 N 0.82 0.92 -0.40 0.50 2.07 -0.93 -0.42 116.25 118.81 1j3y h VAL 133 Ca 0.20 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1j3y h VAL 133 Cb 0.16 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1j3y h VAL 133 CO -0.02 0.08 -0.12 -0.37 0.02 0.00 0.00 177.57 177.16 1j3y h VAL 134 N -0.39 1.25 -0.28 2.57 -1.51 -0.90 0.19 116.25 117.17 1j3y h VAL 134 Ca -0.02 -1.15 0.01 0.00 -1.23 0.00 0.00 66.70 64.31 1j3y h VAL 134 Cb 0.31 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.53 1j3y h VAL 134 CO 0.04 0.39 0.18 0.00 -1.23 0.00 0.00 177.57 176.94 1j3y h ALA 135 N 1.22 0.35 -0.61 5.19 0.00 -1.32 -0.24 119.26 123.85 1j3y h ALA 135 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1j3y h ALA 135 Cb 0.57 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1j3y h ALA 135 CO 0.04 -0.19 0.23 0.78 0.00 0.00 0.00 179.25 180.10 1j3y h GLY 136 N 0.36 1.00 0.89 0.00 0.00 -0.23 0.42 103.07 105.51 1j3y h GLY 136 Ca 0.11 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1j3y h GLY 136 CO -0.04 0.53 -0.03 -2.08 0.00 0.00 0.00 176.54 174.92 1j3y h VAL 137 N 0.86 1.27 -0.73 4.60 2.07 -0.54 0.10 116.25 123.88 1j3y h VAL 137 Ca 0.20 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1j3y h VAL 137 Cb 0.23 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1j3y h VAL 137 CO -0.01 0.33 0.45 0.00 0.02 0.00 0.00 177.57 178.36 1j3y h ALA 138 N 0.82 0.93 -0.73 1.67 0.00 -0.85 0.02 119.26 121.13 1j3y h ALA 138 Ca 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1j3y h ALA 138 Cb 0.49 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1j3y h ALA 138 CO 0.02 0.38 0.19 -0.91 0.00 0.00 0.00 179.25 178.94 1j3y h ASN 139 N 0.99 1.09 -0.61 0.00 2.35 -0.71 -1.06 115.58 117.63 1j3y h ASN 139 Ca 0.26 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1j3y h ASN 139 Cb -0.06 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 1j3y h ASN 139 CO -0.05 1.03 0.09 0.00 -1.65 0.00 0.00 177.43 176.84 1j3y h ALA 140 N 1.10 0.81 0.00 -0.83 0.00 -0.37 -1.38 119.26 118.59 1j3y h ALA 140 Ca 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1j3y h ALA 140 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j3y h ALA 140 CO -0.00 0.58 -0.26 -0.07 0.00 0.00 0.00 179.25 179.50 1j3y h LEU 141 N 0.92 0.00 0.00 0.00 3.38 -0.77 -2.84 115.31 116.00 1j3y h LEU 141 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1j3y h LEU 141 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1j3y h LEU 141 CO 0.01 0.26 -0.31 0.00 0.09 0.00 0.00 178.44 178.50 1j3y h ALA 142 N 1.74 0.82 -0.28 1.53 0.00 -0.78 -3.40 119.26 118.89 1j3y h ALA 142 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1j3y h ALA 142 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1j3y h ALA 142 CO 0.03 0.00 -0.13 1.25 0.00 0.00 0.00 179.25 180.41 1j3y h HIS 143 N 0.00 0.50 -0.49 0.00 6.17 -1.00 -2.49 115.15 117.83 1j3y h HIS 143 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1j3y h HIS 143 Cb 0.84 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.63 1j3y h HIS 143 CO 0.00 0.58 0.00 1.63 0.71 0.00 0.00 177.93 180.85 1j3y n LYS 144 N -4.21 2.16 -2.06 5.26 4.76 -1.26 -4.96 118.16 117.86 1j3y n LYS 144 Ca 0.00 -1.78 -0.38 0.00 -2.87 0.00 0.00 58.31 53.28 1j3y n LYS 144 Cb 0.32 -1.39 0.01 0.00 -1.84 0.00 0.00 35.03 32.12 1j3y n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j3y s TYR 145 N -1.36 2.70 0.00 2.13 1.51 -0.94 -4.69 117.35 116.70 1j3y s TYR 145 Ca 0.33 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 1j3y s TYR 145 Cb 0.17 -3.59 0.00 0.00 -0.11 0.00 0.00 41.96 38.43 1j3y s TYR 145 CO 0.22 -2.08 0.00 -2.39 -1.11 0.00 0.00 175.55 170.20